N-[2-(4-chlorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)Cl)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)Cl)NC2=S)OC

InChI

InChI=1S/C25H22ClN3O4S/c1-32-21-10-8-18(14-22(21)33-2)29-24(31)19-9-5-16(13-20(19)28-25(29)34)23(30)27-12-11-15-3-6-17(26)7-4-15/h3-10,13-14H,11-12H2,1-2H3,(H,27,30)(H,28,34)